SCHEMBL1749371

SCHEMBL1749371

Nc1ccc(N2CC[C@H](CNC(=O)O)C2)cc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.44
ALDH1A1 P00352 7/20 0.44
TDP1 Q9NUW8 4/20 0.44
MCL1 Q07820 3/20 0.44
KDM4E B2RXH2 3/20 0.44
HPGD P15428 1/20 0.44
MAPK1 P28482 5/20 0.44
ALOX15 P16050 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
USP2 O75604 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
GFER P55789 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HSD17B10 Q99714 1/20 0.43
F10 P00742 1/20 0.42
MEN1 O00255 2/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1749373 1.00 MAPT (0.44) MAPTALDH1A1TDP1MCL1KDM4E
SCHEMBL1749967 0.87 MAPT (0.49) MAPTALDH1A1TDP1MCL1KDM4E
SCHEMBL1749531 0.86 MAPT (0.44) MAPTALDH1A1TDP1MCL1KDM4E
SCHEMBL1749591 0.85 NOTUM (0.48) MAPTALDH1A1TDP1MCL1KDM4E
SCHEMBL4259528 0.84 SUV39H2 (0.49) MAPTALDH1A1TDP1MCL1KDM4E
SCHEMBL4259523 0.84 SUV39H2 (0.49) MAPTALDH1A1TDP1MCL1KDM4E
SCHEMBL6792106 0.83 MAPT (0.42) MAPTALDH1A1TDP1MCL1KDM4E
SCHEMBL1749697 0.82 MAPT (0.52) MAPTALDH1A1TDP1MCL1KDM4E
SCHEMBL1749694 0.82 MAPT (0.52) MAPTALDH1A1TDP1MCL1KDM4E
SCHEMBL1750146 0.82 RPS6KB1 (0.40) MAPTALDH1A1TDP1MCL1KDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7968550-B2 Substituted N-aryl heterocycles, process for their preparation and their use as medicaments AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2011-06-28 US disclosed
US-20070207991-A1 Substituted N-aryl Heterocycles, Process For Their Preparation and Their Use As Medicaments SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-09-06 US disclosed
US-7223788-B2 therapy for eating disorders, anorexigenic agents, antidiabetic agents, reducing weight in mammals, circadian rhythm disease, psychological disorders SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-05-29 US disclosed
US-20040220191-A1 Substituted N-aryl heterocycles, process for their preparation and their use as medicaments AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-11-04 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040220191-A1 Substituted N-aryl heterocycles, process for their preparation and their use as medicaments CYP11B2, CYP11B1, CYP1A1 MAPT 4824/4885ALDH1A1 286/4885TDP1 3492/4885
US-20070207991-A1 Substituted N-aryl Heterocycles, Process For Their Preparation and Their Use As Medicaments CYP11B2, CYP11B1, NQO1 MAPT 4800/4885ALDH1A1 374/4885TDP1 4000/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.